TZ1

N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide

Created:	2010-07-16
Last modified:	2011-06-04

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1 entries where TZ1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	21

2D diagram of TZ1

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Chemical Component Summary
Name	N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
Formula	C₁₆ H₉ Cl N₄ O S₃
Molecular Weight	404.917
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc4ccc3c(Sc1nnc(s1)NC(=O)c2sccc2)ccnc3c4
SMILES	CACTVS	3.370	Clc1ccc2c(Sc3sc(NC(=O)c4sccc4)nn3)ccnc2c1
SMILES	OpenEye OEToolkits	1.7.0	c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl
Canonical SMILES	CACTVS	3.370	Clc1ccc2c(Sc3sc(NC(=O)c4sccc4)nn3)ccnc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl
InChI	InChI	1.03	InChI=1S/C16H9ClN4OS3/c17-9-3-4-10-11(8-9)18-6-5-12(10)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22)
InChIKey	InChI	1.03	KWDHWMGDHBBJIA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2727559

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.